Chemical Properties of Pimelic acid, phenethyl tridecyl ester

Pimelic acid, phenethyl tridecyl ester

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InChI
InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-18-24-31-27(29)21-16-13-17-22-28(30)32-25-23-26-19-14-12-15-20-26/h12,14-15,19-20H,2-11,13,16-18,21-25H2,1H3
InChI Key
GPPDKHQALYGKEM-UHFFFAOYSA-N
Formula
C28H46O4
SMILES
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)OCCc1ccccc1
Molecular Weight1
446.66
Sources

Physical Properties

Property Value Unit Source
Δf -170.55 kJ/mol Joback Calculated Property
Δfgas -874.32 kJ/mol Joback Calculated Property
Δfus 67.89 kJ/mol Joback Calculated Property
Δvap 98.51 kJ/mol Joback Calculated Property
logPoct/wat 7.58 Crippen Calculated Property
Pc 824.31 kPa Joback Calculated Property
Tboil 1019.30 K Joback Calculated Property
Tc 1252.65 K Joback Calculated Property
Tfus 576.06 K Joback Calculated Property
Vc 1.54 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1370.19 J/mol×K 1019.3 Joback Calculated Property
η 0.00 Pa×s 1019.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 1
=CH- (ring) 5
=C< (ring) 1
-CH2- 19
>C=O (nonring) 2

Similar Compounds

Pimelic acid, octyl phenethyl ester. Pimelic acid, phenethyl undecyl ester. Pimelic acid, dodecyl phenethyl ester. Pimelic acid, decyl phenethyl ester. Pimelic acid, heptyl phenethyl ester. Pimelic acid, butyl phenethyl ester. Pimelic acid, phenethyl propyl ester. Phenethyl palmitate. Phenethyl stearate. Phenethyl icosanoate. 2-Phenylethyl docosanoate. Phenethyl tetradecanoate. Octanoic acid, 2-phenylethyl ester. Nonanoic acid, 2-phenylethyl ester. Dodecanoic acid, 2-phenylethyl ester.

Find more compounds similar to Pimelic acid, phenethyl tridecyl ester.

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